Chemical ID: 4152458

Cc1ccc(cc1)c2csc(n2)NC(=O)COc3cccc(c3)Cl
Chemical ID:
4152458
Name [?]:
2-(3-chlorophenoxy)-N-[4-(p-tolyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)NC(=O)COc3cccc(c3)Cl
InChi [?]:
InChI=1/C18H15ClN2O2S/c1-12-5-7-13(8-6-12)16-11-24-18(20-16)21-17(22)10-23-15-4-2-3-14(19)9-15/h2-9,11H,10H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,3,7,4,6,23,16,9,2,5,22,18,8,14,11,24,12,13,15,17,10/E:(5,6)(7,8)/rA:24nCCCCCCCCCSCNNCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.84312
Area:577.02
Solvation:-4.58238
Coulombic:-35.2194
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:358.843
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.57
LogP (Chemaxon):5.2

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